Molecule Details
| InChIKey | JSAQBOQCZJHWMA-XMMPIXPASA-N |
|---|---|
| Compound Name | Biib-091 |
| Canonical SMILES | Cn1cc(Nc2nccc(-c3ccc4c(c3)CN(C3COC3)CC[C@H]4NC(=O)c3cn(C(C)(C)C)nn3)n2)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.85 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.7 | IC50 | ChEMBL;BindingDB |
| P35590 | TIE1 | Homo sapiens | Human | PF00041 PF00047 PF07714 | 7.4 | Kd | ChEMBL;BindingDB |
| Q07108 | CD69 | Homo sapiens | Human | PF00059 | 7.2 | IC50 | ChEMBL;BindingDB |
| P08962 | CD63 | Homo sapiens | Human | PF00335 | 7.1 | IC50 | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 7.1 | Kd | ChEMBL;BindingDB |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.6 | Kd | ChEMBL;BindingDB |
| Q92772 | CDKL2 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL;BindingDB |
| O60331 | PIP5K1C | Homo sapiens | Human | PF01504 | 6.4 | Kd | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |